
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
#######################################################################
#
# If this CIF has been generated from an entry in the Cambridge 
# Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting 
# from the CCDC's data processing and validation procedures.
#
#######################################################################

data_NITPOL08
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   3.6780(10)
_cell_length_b                   11.091(2)
_cell_length_c                   14.627(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.75(3)
_cell_angle_gamma                90
_cell_volume                     595.988
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.8087(3) 0.73628(11) 0.99181(11)
O1 O 1.0874(3) 0.53655(10) 0.65552(9)
O2 O 0.6388(3) 0.67489(10) 1.04568(9)
O3 O 0.9096(3) 0.83991(10) 1.01088(9)
C1 C 1.0267(4) 0.58952(13) 0.73624(12)
C2 C 1.1057(4) 0.71058(12) 0.75491(12)
H1 H 1.2054 0.7597 0.7092
C3 C 1.0400(4) 0.75890(12) 0.83899(12)
H2 H 1.0947 0.8410 0.8520
C4 C 0.8922(4) 0.68561(12) 0.90484(12)
C5 C 0.8123(4) 0.56465(12) 0.88775(12)
H3 H 0.7116 0.5158 0.9335
C6 C 0.8815(4) 0.51738(12) 0.80379(12)
H4 H 0.8303 0.4349 0.7914
H5 H 1.183(6) 0.585(2) 0.6176(17)
N1 N 0.8087(3) 0.73628(11) 1.99181(11)
O1 O 1.0874(3) 0.53655(10) 1.65552(9)
O2 O 0.6388(3) 0.67489(10) 2.04568(9)
O3 O 0.9096(3) 0.83991(10) 2.01088(9)
C1 C 1.0267(4) 0.58952(13) 1.73624(12)
C2 C 1.1057(4) 0.71058(12) 1.75491(12)
H1 H 1.2054 0.7597 1.7092
C3 C 1.0400(4) 0.75890(12) 1.83899(12)
H2 H 1.0947 0.8410 1.8520
C4 C 0.8922(4) 0.68561(12) 1.90484(12)
C5 C 0.8123(4) 0.56465(12) 1.88775(12)
H3 H 0.7116 0.5158 1.9335
C6 C 0.8815(4) 0.51738(12) 1.80379(12)
H4 H 0.8303 0.4349 1.7914
H5 H 1.183(6) 0.585(2) 1.6176(17)
N1 N 0.8087(3) 1.73628(11) 0.99181(11)
O1 O 1.0874(3) 1.53655(10) 0.65552(9)
O2 O 0.6388(3) 1.67489(10) 1.04568(9)
O3 O 0.9096(3) 1.83991(10) 1.01088(9)
C1 C 1.0267(4) 1.58952(13) 0.73624(12)
C2 C 1.1057(4) 1.71058(12) 0.75491(12)
H1 H 1.2054 1.7597 0.7092
C3 C 1.0400(4) 1.75890(12) 0.83899(12)
H2 H 1.0947 1.8410 0.8520
C4 C 0.8922(4) 1.68561(12) 0.90484(12)
C5 C 0.8123(4) 1.56465(12) 0.88775(12)
H3 H 0.7116 1.5158 0.9335
C6 C 0.8815(4) 1.51738(12) 0.80379(12)
H4 H 0.8303 1.4349 0.7914
H5 H 1.183(6) 1.585(2) 0.6176(17)
N1 N 0.8087(3) 1.73628(11) 1.99181(11)
O1 O 1.0874(3) 1.53655(10) 1.65552(9)
O2 O 0.6388(3) 1.67489(10) 2.04568(9)
O3 O 0.9096(3) 1.83991(10) 2.01088(9)
C1 C 1.0267(4) 1.58952(13) 1.73624(12)
C2 C 1.1057(4) 1.71058(12) 1.75491(12)
H1 H 1.2054 1.7597 1.7092
C3 C 1.0400(4) 1.75890(12) 1.83899(12)
H2 H 1.0947 1.8410 1.8520
C4 C 0.8922(4) 1.68561(12) 1.90484(12)
C5 C 0.8123(4) 1.56465(12) 1.88775(12)
H3 H 0.7116 1.5158 1.9335
C6 C 0.8815(4) 1.51738(12) 1.80379(12)
H4 H 0.8303 1.4349 1.7914
H5 H 1.183(6) 1.585(2) 1.6176(17)
N1 N 1.8087(3) 0.73628(11) 0.99181(11)
O1 O 2.0874(3) 0.53655(10) 0.65552(9)
O2 O 1.6388(3) 0.67489(10) 1.04568(9)
O3 O 1.9096(3) 0.83991(10) 1.01088(9)
C1 C 2.0267(4) 0.58952(13) 0.73624(12)
C2 C 2.1057(4) 0.71058(12) 0.75491(12)
H1 H 2.2054 0.7597 0.7092
C3 C 2.0400(4) 0.75890(12) 0.83899(12)
H2 H 2.0947 0.8410 0.8520
C4 C 1.8922(4) 0.68561(12) 0.90484(12)
C5 C 1.8123(4) 0.56465(12) 0.88775(12)
H3 H 1.7116 0.5158 0.9335
C6 C 1.8815(4) 0.51738(12) 0.80379(12)
H4 H 1.8303 0.4349 0.7914
H5 H 2.183(6) 0.585(2) 0.6176(17)
N1 N 1.8087(3) 0.73628(11) 1.99181(11)
O1 O 2.0874(3) 0.53655(10) 1.65552(9)
O2 O 1.6388(3) 0.67489(10) 2.04568(9)
O3 O 1.9096(3) 0.83991(10) 2.01088(9)
C1 C 2.0267(4) 0.58952(13) 1.73624(12)
C2 C 2.1057(4) 0.71058(12) 1.75491(12)
H1 H 2.2054 0.7597 1.7092
C3 C 2.0400(4) 0.75890(12) 1.83899(12)
H2 H 2.0947 0.8410 1.8520
C4 C 1.8922(4) 0.68561(12) 1.90484(12)
C5 C 1.8123(4) 0.56465(12) 1.88775(12)
H3 H 1.7116 0.5158 1.9335
C6 C 1.8815(4) 0.51738(12) 1.80379(12)
H4 H 1.8303 0.4349 1.7914
H5 H 2.183(6) 0.585(2) 1.6176(17)
N1 N 1.8087(3) 1.73628(11) 0.99181(11)
O1 O 2.0874(3) 1.53655(10) 0.65552(9)
O2 O 1.6388(3) 1.67489(10) 1.04568(9)
O3 O 1.9096(3) 1.83991(10) 1.01088(9)
C1 C 2.0267(4) 1.58952(13) 0.73624(12)
C2 C 2.1057(4) 1.71058(12) 0.75491(12)
H1 H 2.2054 1.7597 0.7092
C3 C 2.0400(4) 1.75890(12) 0.83899(12)
H2 H 2.0947 1.8410 0.8520
C4 C 1.8922(4) 1.68561(12) 0.90484(12)
C5 C 1.8123(4) 1.56465(12) 0.88775(12)
H3 H 1.7116 1.5158 0.9335
C6 C 1.8815(4) 1.51738(12) 0.80379(12)
H4 H 1.8303 1.4349 0.7914
H5 H 2.183(6) 1.585(2) 0.6176(17)
N1 N 1.8087(3) 1.73628(11) 1.99181(11)
O1 O 2.0874(3) 1.53655(10) 1.65552(9)
O2 O 1.6388(3) 1.67489(10) 2.04568(9)
O3 O 1.9096(3) 1.83991(10) 2.01088(9)
C1 C 2.0267(4) 1.58952(13) 1.73624(12)
C2 C 2.1057(4) 1.71058(12) 1.75491(12)
H1 H 2.2054 1.7597 1.7092
C3 C 2.0400(4) 1.75890(12) 1.83899(12)
H2 H 2.0947 1.8410 1.8520
C4 C 1.8922(4) 1.68561(12) 1.90484(12)
C5 C 1.8123(4) 1.56465(12) 1.88775(12)
H3 H 1.7116 1.5158 1.9335
C6 C 1.8815(4) 1.51738(12) 1.80379(12)
H4 H 1.8303 1.4349 1.7914
H5 H 2.183(6) 1.585(2) 1.6176(17)
N1 N 0.6913(3) 0.23628(11) 0.50819(11)
O1 O 0.4126(3) 0.03655(10) 0.84448(9)
O2 O 0.8612(3) 0.17489(10) 0.45432(9)
O3 O 0.5904(3) 0.33991(10) 0.48912(9)
C1 C 0.4733(4) 0.08952(13) 0.76376(12)
C2 C 0.3943(4) 0.21058(12) 0.74509(12)
H1 H 0.2946 0.2597 0.7908
C3 C 0.4600(4) 0.25890(12) 0.66101(12)
H2 H 0.4053 0.3410 0.6480
C4 C 0.6078(4) 0.18561(12) 0.59516(12)
C5 C 0.6877(4) 0.06465(12) 0.61225(12)
H3 H 0.7884 0.0158 0.5665
C6 C 0.6185(4) 0.01738(12) 0.69621(12)
H4 H 0.6697 -0.0651 0.7086
H5 H 0.317(6) 0.085(2) 0.8824(17)
N1 N 0.6913(3) 0.23628(11) 1.50819(11)
O1 O 0.4126(3) 0.03655(10) 1.84448(9)
O2 O 0.8612(3) 0.17489(10) 1.45432(9)
O3 O 0.5904(3) 0.33991(10) 1.48912(9)
C1 C 0.4733(4) 0.08952(13) 1.76376(12)
C2 C 0.3943(4) 0.21058(12) 1.74509(12)
H1 H 0.2946 0.2597 1.7908
C3 C 0.4600(4) 0.25890(12) 1.66101(12)
H2 H 0.4053 0.3410 1.6480
C4 C 0.6078(4) 0.18561(12) 1.59516(12)
C5 C 0.6877(4) 0.06465(12) 1.61225(12)
H3 H 0.7884 0.0158 1.5665
C6 C 0.6185(4) 0.01738(12) 1.69621(12)
H4 H 0.6697 -0.0651 1.7086
H5 H 0.317(6) 0.085(2) 1.8824(17)
N1 N 0.6913(3) 1.23628(11) 0.50819(11)
O1 O 0.4126(3) 1.03655(10) 0.84448(9)
O2 O 0.8612(3) 1.17489(10) 0.45432(9)
O3 O 0.5904(3) 1.33991(10) 0.48912(9)
C1 C 0.4733(4) 1.08952(13) 0.76376(12)
C2 C 0.3943(4) 1.21058(12) 0.74509(12)
H1 H 0.2946 1.2597 0.7908
C3 C 0.4600(4) 1.25890(12) 0.66101(12)
H2 H 0.4053 1.3410 0.6480
C4 C 0.6078(4) 1.18561(12) 0.59516(12)
C5 C 0.6877(4) 1.06465(12) 0.61225(12)
H3 H 0.7884 1.0158 0.5665
C6 C 0.6185(4) 1.01738(12) 0.69621(12)
H4 H 0.6697 0.9349 0.7086
H5 H 0.317(6) 1.085(2) 0.8824(17)
N1 N 0.6913(3) 1.23628(11) 1.50819(11)
O1 O 0.4126(3) 1.03655(10) 1.84448(9)
O2 O 0.8612(3) 1.17489(10) 1.45432(9)
O3 O 0.5904(3) 1.33991(10) 1.48912(9)
C1 C 0.4733(4) 1.08952(13) 1.76376(12)
C2 C 0.3943(4) 1.21058(12) 1.74509(12)
H1 H 0.2946 1.2597 1.7908
C3 C 0.4600(4) 1.25890(12) 1.66101(12)
H2 H 0.4053 1.3410 1.6480
C4 C 0.6078(4) 1.18561(12) 1.59516(12)
C5 C 0.6877(4) 1.06465(12) 1.61225(12)
H3 H 0.7884 1.0158 1.5665
C6 C 0.6185(4) 1.01738(12) 1.69621(12)
H4 H 0.6697 0.9349 1.7086
H5 H 0.317(6) 1.085(2) 1.8824(17)
N1 N 1.6913(3) 0.23628(11) 0.50819(11)
O1 O 1.4126(3) 0.03655(10) 0.84448(9)
O2 O 1.8612(3) 0.17489(10) 0.45432(9)
O3 O 1.5904(3) 0.33991(10) 0.48912(9)
C1 C 1.4733(4) 0.08952(13) 0.76376(12)
C2 C 1.3943(4) 0.21058(12) 0.74509(12)
H1 H 1.2946 0.2597 0.7908
C3 C 1.4600(4) 0.25890(12) 0.66101(12)
H2 H 1.4053 0.3410 0.6480
C4 C 1.6078(4) 0.18561(12) 0.59516(12)
C5 C 1.6877(4) 0.06465(12) 0.61225(12)
H3 H 1.7884 0.0158 0.5665
C6 C 1.6185(4) 0.01738(12) 0.69621(12)
H4 H 1.6697 -0.0651 0.7086
H5 H 1.317(6) 0.085(2) 0.8824(17)
N1 N 1.6913(3) 0.23628(11) 1.50819(11)
O1 O 1.4126(3) 0.03655(10) 1.84448(9)
O2 O 1.8612(3) 0.17489(10) 1.45432(9)
O3 O 1.5904(3) 0.33991(10) 1.48912(9)
C1 C 1.4733(4) 0.08952(13) 1.76376(12)
C2 C 1.3943(4) 0.21058(12) 1.74509(12)
H1 H 1.2946 0.2597 1.7908
C3 C 1.4600(4) 0.25890(12) 1.66101(12)
H2 H 1.4053 0.3410 1.6480
C4 C 1.6078(4) 0.18561(12) 1.59516(12)
C5 C 1.6877(4) 0.06465(12) 1.61225(12)
H3 H 1.7884 0.0158 1.5665
C6 C 1.6185(4) 0.01738(12) 1.69621(12)
H4 H 1.6697 -0.0651 1.7086
H5 H 1.317(6) 0.085(2) 1.8824(17)
N1 N 1.6913(3) 1.23628(11) 0.50819(11)
O1 O 1.4126(3) 1.03655(10) 0.84448(9)
O2 O 1.8612(3) 1.17489(10) 0.45432(9)
O3 O 1.5904(3) 1.33991(10) 0.48912(9)
C1 C 1.4733(4) 1.08952(13) 0.76376(12)
C2 C 1.3943(4) 1.21058(12) 0.74509(12)
H1 H 1.2946 1.2597 0.7908
C3 C 1.4600(4) 1.25890(12) 0.66101(12)
H2 H 1.4053 1.3410 0.6480
C4 C 1.6078(4) 1.18561(12) 0.59516(12)
C5 C 1.6877(4) 1.06465(12) 0.61225(12)
H3 H 1.7884 1.0158 0.5665
C6 C 1.6185(4) 1.01738(12) 0.69621(12)
H4 H 1.6697 0.9349 0.7086
H5 H 1.317(6) 1.085(2) 0.8824(17)
N1 N 1.6913(3) 1.23628(11) 1.50819(11)
O1 O 1.4126(3) 1.03655(10) 1.84448(9)
O2 O 1.8612(3) 1.17489(10) 1.45432(9)
O3 O 1.5904(3) 1.33991(10) 1.48912(9)
C1 C 1.4733(4) 1.08952(13) 1.76376(12)
C2 C 1.3943(4) 1.21058(12) 1.74509(12)
H1 H 1.2946 1.2597 1.7908
C3 C 1.4600(4) 1.25890(12) 1.66101(12)
H2 H 1.4053 1.3410 1.6480
C4 C 1.6078(4) 1.18561(12) 1.59516(12)
C5 C 1.6877(4) 1.06465(12) 1.61225(12)
H3 H 1.7884 1.0158 1.5665
C6 C 1.6185(4) 1.01738(12) 1.69621(12)
H4 H 1.6697 0.9349 1.7086
H5 H 1.317(6) 1.085(2) 1.8824(17)
N1 N 0.1913(3) 0.26372(11) 0.00819(11)
O1 O -0.0874(3) 0.46345(10) 0.34448(9)
O2 O 0.3612(3) 0.32511(10) -0.04568(9)
O3 O 0.0904(3) 0.16009(10) -0.01088(9)
C1 C -0.0267(4) 0.41048(13) 0.26376(12)
C2 C -0.1057(4) 0.28942(12) 0.24509(12)
H1 H -0.2054 0.2403 0.2908
C3 C -0.0400(4) 0.24110(12) 0.16101(12)
H2 H -0.0947 0.1590 0.1480
C4 C 0.1078(4) 0.31439(12) 0.09516(12)
C5 C 0.1877(4) 0.43535(12) 0.11225(12)
H3 H 0.2884 0.4842 0.0665
C6 C 0.1185(4) 0.48262(12) 0.19621(12)
H4 H 0.1697 0.5651 0.2086
H5 H -0.183(6) 0.415(2) 0.3824(17)
N1 N 0.1913(3) 0.26372(11) 1.00819(11)
O1 O -0.0874(3) 0.46345(10) 1.34448(9)
O2 O 0.3612(3) 0.32511(10) 0.95432(9)
O3 O 0.0904(3) 0.16009(10) 0.98912(9)
C1 C -0.0267(4) 0.41048(13) 1.26376(12)
C2 C -0.1057(4) 0.28942(12) 1.24509(12)
H1 H -0.2054 0.2403 1.2908
C3 C -0.0400(4) 0.24110(12) 1.16101(12)
H2 H -0.0947 0.1590 1.1480
C4 C 0.1078(4) 0.31439(12) 1.09516(12)
C5 C 0.1877(4) 0.43535(12) 1.11225(12)
H3 H 0.2884 0.4842 1.0665
C6 C 0.1185(4) 0.48262(12) 1.19621(12)
H4 H 0.1697 0.5651 1.2086
H5 H -0.183(6) 0.415(2) 1.3824(17)
N1 N 0.1913(3) 1.26372(11) 0.00819(11)
O1 O -0.0874(3) 1.46345(10) 0.34448(9)
O2 O 0.3612(3) 1.32511(10) -0.04568(9)
O3 O 0.0904(3) 1.16009(10) -0.01088(9)
C1 C -0.0267(4) 1.41048(13) 0.26376(12)
C2 C -0.1057(4) 1.28942(12) 0.24509(12)
H1 H -0.2054 1.2403 0.2908
C3 C -0.0400(4) 1.24110(12) 0.16101(12)
H2 H -0.0947 1.1590 0.1480
C4 C 0.1078(4) 1.31439(12) 0.09516(12)
C5 C 0.1877(4) 1.43535(12) 0.11225(12)
H3 H 0.2884 1.4842 0.0665
C6 C 0.1185(4) 1.48262(12) 0.19621(12)
H4 H 0.1697 1.5651 0.2086
H5 H -0.183(6) 1.415(2) 0.3824(17)
N1 N 0.1913(3) 1.26372(11) 1.00819(11)
O1 O -0.0874(3) 1.46345(10) 1.34448(9)
O2 O 0.3612(3) 1.32511(10) 0.95432(9)
O3 O 0.0904(3) 1.16009(10) 0.98912(9)
C1 C -0.0267(4) 1.41048(13) 1.26376(12)
C2 C -0.1057(4) 1.28942(12) 1.24509(12)
H1 H -0.2054 1.2403 1.2908
C3 C -0.0400(4) 1.24110(12) 1.16101(12)
H2 H -0.0947 1.1590 1.1480
C4 C 0.1078(4) 1.31439(12) 1.09516(12)
C5 C 0.1877(4) 1.43535(12) 1.11225(12)
H3 H 0.2884 1.4842 1.0665
C6 C 0.1185(4) 1.48262(12) 1.19621(12)
H4 H 0.1697 1.5651 1.2086
H5 H -0.183(6) 1.415(2) 1.3824(17)
N1 N 1.1913(3) 0.26372(11) 0.00819(11)
O1 O 0.9126(3) 0.46345(10) 0.34448(9)
O2 O 1.3612(3) 0.32511(10) -0.04568(9)
O3 O 1.0904(3) 0.16009(10) -0.01088(9)
C1 C 0.9733(4) 0.41048(13) 0.26376(12)
C2 C 0.8943(4) 0.28942(12) 0.24509(12)
H1 H 0.7946 0.2403 0.2908
C3 C 0.9600(4) 0.24110(12) 0.16101(12)
H2 H 0.9053 0.1590 0.1480
C4 C 1.1078(4) 0.31439(12) 0.09516(12)
C5 C 1.1877(4) 0.43535(12) 0.11225(12)
H3 H 1.2884 0.4842 0.0665
C6 C 1.1185(4) 0.48262(12) 0.19621(12)
H4 H 1.1697 0.5651 0.2086
H5 H 0.817(6) 0.415(2) 0.3824(17)
N1 N 1.1913(3) 0.26372(11) 1.00819(11)
O1 O 0.9126(3) 0.46345(10) 1.34448(9)
O2 O 1.3612(3) 0.32511(10) 0.95432(9)
O3 O 1.0904(3) 0.16009(10) 0.98912(9)
C1 C 0.9733(4) 0.41048(13) 1.26376(12)
C2 C 0.8943(4) 0.28942(12) 1.24509(12)
H1 H 0.7946 0.2403 1.2908
C3 C 0.9600(4) 0.24110(12) 1.16101(12)
H2 H 0.9053 0.1590 1.1480
C4 C 1.1078(4) 0.31439(12) 1.09516(12)
C5 C 1.1877(4) 0.43535(12) 1.11225(12)
H3 H 1.2884 0.4842 1.0665
C6 C 1.1185(4) 0.48262(12) 1.19621(12)
H4 H 1.1697 0.5651 1.2086
H5 H 0.817(6) 0.415(2) 1.3824(17)
N1 N 1.1913(3) 1.26372(11) 0.00819(11)
O1 O 0.9126(3) 1.46345(10) 0.34448(9)
O2 O 1.3612(3) 1.32511(10) -0.04568(9)
O3 O 1.0904(3) 1.16009(10) -0.01088(9)
C1 C 0.9733(4) 1.41048(13) 0.26376(12)
C2 C 0.8943(4) 1.28942(12) 0.24509(12)
H1 H 0.7946 1.2403 0.2908
C3 C 0.9600(4) 1.24110(12) 0.16101(12)
H2 H 0.9053 1.1590 0.1480
C4 C 1.1078(4) 1.31439(12) 0.09516(12)
C5 C 1.1877(4) 1.43535(12) 0.11225(12)
H3 H 1.2884 1.4842 0.0665
C6 C 1.1185(4) 1.48262(12) 0.19621(12)
H4 H 1.1697 1.5651 0.2086
H5 H 0.817(6) 1.415(2) 0.3824(17)
N1 N 1.1913(3) 1.26372(11) 1.00819(11)
O1 O 0.9126(3) 1.46345(10) 1.34448(9)
O2 O 1.3612(3) 1.32511(10) 0.95432(9)
O3 O 1.0904(3) 1.16009(10) 0.98912(9)
C1 C 0.9733(4) 1.41048(13) 1.26376(12)
C2 C 0.8943(4) 1.28942(12) 1.24509(12)
H1 H 0.7946 1.2403 1.2908
C3 C 0.9600(4) 1.24110(12) 1.16101(12)
H2 H 0.9053 1.1590 1.1480
C4 C 1.1078(4) 1.31439(12) 1.09516(12)
C5 C 1.1877(4) 1.43535(12) 1.11225(12)
H3 H 1.2884 1.4842 1.0665
C6 C 1.1185(4) 1.48262(12) 1.19621(12)
H4 H 1.1697 1.5651 1.2086
H5 H 0.817(6) 1.415(2) 1.3824(17)
N1 N 0.3087(3) 0.76372(11) 0.49181(11)
O1 O 0.5874(3) 0.96345(10) 0.15552(9)
O2 O 0.1388(3) 0.82511(10) 0.54568(9)
O3 O 0.4096(3) 0.66009(10) 0.51088(9)
C1 C 0.5267(4) 0.91048(13) 0.23624(12)
C2 C 0.6057(4) 0.78942(12) 0.25491(12)
H1 H 0.7054 0.7403 0.2092
C3 C 0.5400(4) 0.74110(12) 0.33899(12)
H2 H 0.5947 0.6590 0.3520
C4 C 0.3922(4) 0.81439(12) 0.40484(12)
C5 C 0.3123(4) 0.93535(12) 0.38775(12)
H3 H 0.2116 0.9842 0.4335
C6 C 0.3815(4) 0.98262(12) 0.30379(12)
H4 H 0.3303 1.0651 0.2914
H5 H 0.683(6) 0.915(2) 0.1176(17)
N1 N 0.3087(3) 0.76372(11) 1.49181(11)
O1 O 0.5874(3) 0.96345(10) 1.15552(9)
O2 O 0.1388(3) 0.82511(10) 1.54568(9)
O3 O 0.4096(3) 0.66009(10) 1.51088(9)
C1 C 0.5267(4) 0.91048(13) 1.23624(12)
C2 C 0.6057(4) 0.78942(12) 1.25491(12)
H1 H 0.7054 0.7403 1.2092
C3 C 0.5400(4) 0.74110(12) 1.33899(12)
H2 H 0.5947 0.6590 1.3520
C4 C 0.3922(4) 0.81439(12) 1.40484(12)
C5 C 0.3123(4) 0.93535(12) 1.38775(12)
H3 H 0.2116 0.9842 1.4335
C6 C 0.3815(4) 0.98262(12) 1.30379(12)
H4 H 0.3303 1.0651 1.2914
H5 H 0.683(6) 0.915(2) 1.1176(17)
N1 N 0.3087(3) 1.76372(11) 0.49181(11)
O1 O 0.5874(3) 1.96345(10) 0.15552(9)
O2 O 0.1388(3) 1.82511(10) 0.54568(9)
O3 O 0.4096(3) 1.66009(10) 0.51088(9)
C1 C 0.5267(4) 1.91048(13) 0.23624(12)
C2 C 0.6057(4) 1.78942(12) 0.25491(12)
H1 H 0.7054 1.7403 0.2092
C3 C 0.5400(4) 1.74110(12) 0.33899(12)
H2 H 0.5947 1.6590 0.3520
C4 C 0.3922(4) 1.81439(12) 0.40484(12)
C5 C 0.3123(4) 1.93535(12) 0.38775(12)
H3 H 0.2116 1.9842 0.4335
C6 C 0.3815(4) 1.98262(12) 0.30379(12)
H4 H 0.3303 2.0651 0.2914
H5 H 0.683(6) 1.915(2) 0.1176(17)
N1 N 0.3087(3) 1.76372(11) 1.49181(11)
O1 O 0.5874(3) 1.96345(10) 1.15552(9)
O2 O 0.1388(3) 1.82511(10) 1.54568(9)
O3 O 0.4096(3) 1.66009(10) 1.51088(9)
C1 C 0.5267(4) 1.91048(13) 1.23624(12)
C2 C 0.6057(4) 1.78942(12) 1.25491(12)
H1 H 0.7054 1.7403 1.2092
C3 C 0.5400(4) 1.74110(12) 1.33899(12)
H2 H 0.5947 1.6590 1.3520
C4 C 0.3922(4) 1.81439(12) 1.40484(12)
C5 C 0.3123(4) 1.93535(12) 1.38775(12)
H3 H 0.2116 1.9842 1.4335
C6 C 0.3815(4) 1.98262(12) 1.30379(12)
H4 H 0.3303 2.0651 1.2914
H5 H 0.683(6) 1.915(2) 1.1176(17)
N1 N 1.3087(3) 0.76372(11) 0.49181(11)
O1 O 1.5874(3) 0.96345(10) 0.15552(9)
O2 O 1.1388(3) 0.82511(10) 0.54568(9)
O3 O 1.4096(3) 0.66009(10) 0.51088(9)
C1 C 1.5267(4) 0.91048(13) 0.23624(12)
C2 C 1.6057(4) 0.78942(12) 0.25491(12)
H1 H 1.7054 0.7403 0.2092
C3 C 1.5400(4) 0.74110(12) 0.33899(12)
H2 H 1.5947 0.6590 0.3520
C4 C 1.3922(4) 0.81439(12) 0.40484(12)
C5 C 1.3123(4) 0.93535(12) 0.38775(12)
H3 H 1.2116 0.9842 0.4335
C6 C 1.3815(4) 0.98262(12) 0.30379(12)
H4 H 1.3303 1.0651 0.2914
H5 H 1.683(6) 0.915(2) 0.1176(17)
N1 N 1.3087(3) 0.76372(11) 1.49181(11)
O1 O 1.5874(3) 0.96345(10) 1.15552(9)
O2 O 1.1388(3) 0.82511(10) 1.54568(9)
O3 O 1.4096(3) 0.66009(10) 1.51088(9)
C1 C 1.5267(4) 0.91048(13) 1.23624(12)
C2 C 1.6057(4) 0.78942(12) 1.25491(12)
H1 H 1.7054 0.7403 1.2092
C3 C 1.5400(4) 0.74110(12) 1.33899(12)
H2 H 1.5947 0.6590 1.3520
C4 C 1.3922(4) 0.81439(12) 1.40484(12)
C5 C 1.3123(4) 0.93535(12) 1.38775(12)
H3 H 1.2116 0.9842 1.4335
C6 C 1.3815(4) 0.98262(12) 1.30379(12)
H4 H 1.3303 1.0651 1.2914
H5 H 1.683(6) 0.915(2) 1.1176(17)
N1 N 1.3087(3) 1.76372(11) 0.49181(11)
O1 O 1.5874(3) 1.96345(10) 0.15552(9)
O2 O 1.1388(3) 1.82511(10) 0.54568(9)
O3 O 1.4096(3) 1.66009(10) 0.51088(9)
C1 C 1.5267(4) 1.91048(13) 0.23624(12)
C2 C 1.6057(4) 1.78942(12) 0.25491(12)
H1 H 1.7054 1.7403 0.2092
C3 C 1.5400(4) 1.74110(12) 0.33899(12)
H2 H 1.5947 1.6590 0.3520
C4 C 1.3922(4) 1.81439(12) 0.40484(12)
C5 C 1.3123(4) 1.93535(12) 0.38775(12)
H3 H 1.2116 1.9842 0.4335
C6 C 1.3815(4) 1.98262(12) 0.30379(12)
H4 H 1.3303 2.0651 0.2914
H5 H 1.683(6) 1.915(2) 0.1176(17)
N1 N 1.3087(3) 1.76372(11) 1.49181(11)
O1 O 1.5874(3) 1.96345(10) 1.15552(9)
O2 O 1.1388(3) 1.82511(10) 1.54568(9)
O3 O 1.4096(3) 1.66009(10) 1.51088(9)
C1 C 1.5267(4) 1.91048(13) 1.23624(12)
C2 C 1.6057(4) 1.78942(12) 1.25491(12)
H1 H 1.7054 1.7403 1.2092
C3 C 1.5400(4) 1.74110(12) 1.33899(12)
H2 H 1.5947 1.6590 1.3520
C4 C 1.3922(4) 1.81439(12) 1.40484(12)
C5 C 1.3123(4) 1.93535(12) 1.38775(12)
H3 H 1.2116 1.9842 1.4335
C6 C 1.3815(4) 1.98262(12) 1.30379(12)
H4 H 1.3303 2.0651 1.2914
H5 H 1.683(6) 1.915(2) 1.1176(17)

#END
